1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine

C10H13N7O4 — CID 139214861

IUPAC1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine
SMILESCCCn1ccc(Nc2c([N+](=O)[O-])c([N+](=O)[O-])nn2C)n1
InChIInChI=1S/C10H13N7O4/c1-3-5-15-6-4-7(12-15)11-9-8(16(18)19)10(17(20)21)13-14(9)2/h4,6H,3,5H2,1-2H3,(H,11,12)
InChIKeyGNOQCQYMEXDZFP-UHFFFAOYSA-N
MW295.26 g/mol
LogP1.59
Rot. Bonds6

About 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine

1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine (PubChem CID 139214861) has the molecular formula C10H13N7O4 and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine
PubChem CID139214861
Molecular FormulaC10H13N7O4
Molecular Weight295.26 g/mol
Exact Mass295.10
IUPAC Name1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine
SMILESCCCn1ccc(Nc2c([N+](=O)[O-])c([N+](=O)[O-])nn2C)n1
InChIInChI=1S/C10H13N7O4/c1-3-5-15-6-4-7(12-15)11-9-8(16(18)19)10(17(20)21)13-14(9)2/h4,6H,3,5H2,1-2H3,(H,11,12)
InChIKeyGNOQCQYMEXDZFP-UHFFFAOYSA-N
XLogP1.59
TPSA133.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine (CID 139214861) is 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine is CCCn1ccc(Nc2c([N+](=O)[O-])c([N+](=O)[O-])nn2C)n1.
What is the InChIKey of 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine?
The InChIKey is GNOQCQYMEXDZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O4/c1-3-5-15-6-4-7(12-15)11-9-8(16(18)19)10(17(20)21)13-14(9)2/h4,6H,3,5H2,1-2H3,(H,11,12).
What are the key properties of 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine?
1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine has a molecular weight of 295.26 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-dinitro-N-(1-propylpyrazol-3-yl)pyrazol-5-amine is sourced from PubChem (CID 139214861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).